openmolecules.org

 
Home » DataWarrior » Cheminformatics » Fit quality calculation
Fit quality calculation [message #453] Fri, 25 January 2019 03:27 Go to next message
mvamos is currently offline  mvamos
Messages: 24
Registered: January 2015
Location: US
Junior Member
I wonder if fit quality calculation could be included in a future update. Might be of use to a number of scientists out there. Smile
https://www.sciencedirect.com/science/article/pii/S135964460 8004029

also seen here: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3326594/

Report message to a moderator

Re: Fit quality calculation [message #470 is a reply to message #453] Tue, 12 February 2019 19:09 Go to previous message
thomas is currently offline  thomas
Messages: 747
Registered: June 2014
Senior Member
Thank you for the suggestion. I will check it...

Thomas

Report message to a moderator

Previous Topic: SMARTS searching
Next Topic: Reading in JSON files....
Goto Forum:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Thu Sep 24 06:27:50 CEST 2026

Total time taken to generate the page: 0.00539 seconds
openmolecules.org